(2S)-N-(4-ethoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

C22H24N4O3 — CID 95116644

IUPAC(2S)-N-(4-ethoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3C)no2)cc1
InChIInChI=1S/C22H24N4O3/c1-3-28-17-12-10-16(11-13-17)23-22(27)26-14-6-9-19(26)21-24-20(25-29-21)18-8-5-4-7-15(18)2/h4-5,7-8,10-13,19H,3,6,9,14H2,1-2H3,(H,23,27)/t19-/m0/s1
InChIKeyQKMGYYONJFMALD-IBGZPJMESA-N
MW392.46 g/mol
LogP4.81
Rot. Bonds5

About (2S)-N-(4-ethoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

(2S)-N-(4-ethoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 95116644) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2S)-N-(4-ethoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-ethoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
PubChem CID95116644
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(2S)-N-(4-ethoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3C)no2)cc1
InChIInChI=1S/C22H24N4O3/c1-3-28-17-12-10-16(11-13-17)23-22(27)26-14-6-9-19(26)21-24-20(25-29-21)18-8-5-4-7-15(18)2/h4-5,7-8,10-13,19H,3,6,9,14H2,1-2H3,(H,23,27)/t19-/m0/s1
InChIKeyQKMGYYONJFMALD-IBGZPJMESA-N
XLogP4.81
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-ethoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95116643
N-(4-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039465
(2R)-N-(4-ethoxyphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7216464
(2R)-N-(4-ethoxyphenyl)-2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 93015955
(2R)-N-(2-methoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95116632
[(2R)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-ethoxyphenyl)methanone
CID 125127290
N-(3,4-dimethylphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039469
N-(5-chloro-2-methylphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53206190
(2S)-N-(2-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057927
(2S)-N-(2,5-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95116651
N-(2,4-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53206199
N-(2,5-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53206196

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-ethoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(4-ethoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (CID 95116644) is (2S)-N-(4-ethoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(4-ethoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(4-ethoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3C)no2)cc1.
What is the InChIKey of (2S)-N-(4-ethoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is QKMGYYONJFMALD-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-28-17-12-10-16(11-13-17)23-22(27)26-14-6-9-19(26)21-24-20(25-29-21)18-8-5-4-7-15(18)2/h4-5,7-8,10-13,19H,3,6,9,14H2,1-2H3,(H,23,27)/t19-/m0/s1.
What are the key properties of (2S)-N-(4-ethoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
(2S)-N-(4-ethoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-ethoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 95116644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).